3-[4-(1-methylbenzimidazol-2-yl)phenoxy]propanoic acid

C17H16N2O3 — CID 167855437

IUPAC3-[4-(1-methylbenzimidazol-2-yl)phenoxy]propanoic acid
SMILESCn1c(-c2ccc(OCCC(=O)O)cc2)nc2ccccc21
InChIInChI=1S/C17H16N2O3/c1-19-15-5-3-2-4-14(15)18-17(19)12-6-8-13(9-7-12)22-11-10-16(20)21/h2-9H,10-11H2,1H3,(H,20,21)
InChIKeyOLADKSGWXNURST-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.09
Rot. Bonds5

About 3-[4-(1-methylbenzimidazol-2-yl)phenoxy]propanoic acid

3-[4-(1-methylbenzimidazol-2-yl)phenoxy]propanoic acid (PubChem CID 167855437) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-[4-(1-methylbenzimidazol-2-yl)phenoxy]propanoic acid.

Molecular Properties

Compound Name3-[4-(1-methylbenzimidazol-2-yl)phenoxy]propanoic acid
PubChem CID167855437
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name3-[4-(1-methylbenzimidazol-2-yl)phenoxy]propanoic acid
SMILESCn1c(-c2ccc(OCCC(=O)O)cc2)nc2ccccc21
InChIInChI=1S/C17H16N2O3/c1-19-15-5-3-2-4-14(15)18-17(19)12-6-8-13(9-7-12)22-11-10-16(20)21/h2-9H,10-11H2,1H3,(H,20,21)
InChIKeyOLADKSGWXNURST-UHFFFAOYSA-N
XLogP3.09
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[4-[3-(dimethylamino)propoxy]phenyl]benzimidazol-1-yl]acetic acid
CID 22684807
5-[2-(4-methoxyphenyl)benzimidazol-1-yl]pentanoic acid
CID 57458903
1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000523
(4-phenylphenyl) 3-(1-methylbenzimidazol-2-yl)benzoate
CID 20556662
2-(4-tert-butylphenyl)-1-(4-phenoxybutyl)benzimidazole
CID 84571497
5-(2,3-diphenylbenzimidazol-5-yl)oxypentanoic acid
CID 15296805
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-phenoxypropanamide
CID 110711950
2-(4-iodophenyl)-1-methylbenzimidazole
CID 23094064
2-(4-chlorophenyl)-1-methylbenzimidazole
CID 974595
2-[2-[4-(3,5-dimethylphenoxy)phenyl]benzimidazol-1-yl]acetic acid
CID 22683212
3-[4-(1,5-dimethylpyrazol-4-yl)phenoxy]propanoic acid
CID 167786026
2-[2-[4-[2-(dimethylazaniumyl)ethoxy]phenyl]benzimidazol-1-yl]acetate
CID 42234142

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-methylbenzimidazol-2-yl)phenoxy]propanoic acid?
The IUPAC name of 3-[4-(1-methylbenzimidazol-2-yl)phenoxy]propanoic acid (CID 167855437) is 3-[4-(1-methylbenzimidazol-2-yl)phenoxy]propanoic acid.
What is the SMILES notation for 3-[4-(1-methylbenzimidazol-2-yl)phenoxy]propanoic acid?
The canonical SMILES for 3-[4-(1-methylbenzimidazol-2-yl)phenoxy]propanoic acid is Cn1c(-c2ccc(OCCC(=O)O)cc2)nc2ccccc21.
What is the InChIKey of 3-[4-(1-methylbenzimidazol-2-yl)phenoxy]propanoic acid?
The InChIKey is OLADKSGWXNURST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-19-15-5-3-2-4-14(15)18-17(19)12-6-8-13(9-7-12)22-11-10-16(20)21/h2-9H,10-11H2,1H3,(H,20,21).
What are the key properties of 3-[4-(1-methylbenzimidazol-2-yl)phenoxy]propanoic acid?
3-[4-(1-methylbenzimidazol-2-yl)phenoxy]propanoic acid has a molecular weight of 296.33 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-methylbenzimidazol-2-yl)phenoxy]propanoic acid is sourced from PubChem (CID 167855437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).